2-[1-adamantyl(methyl)amino]-N-methylpyrimidine-5-carboxamide;4-[[1-adamantylmethyl(methyl)amino]methyl]-3-fluoro-N-methylbenzamide;4-[[1-adamantylmethyl(methyl)amino]methyl]-3-(18F)fluoro-N-methyl(18F)benzamide;4-[[1-adamantylmethyl(methyl)amino]methyl]-N-methylbenzamide;1-[2-[1-adamantylmethyl(methyl)amino]pyrimidin-5-yl]propan-1-one;4-[3-(1-adamantyl)propyl]-2-fluoro-N-methylbenzamide

C120H167F3N14O6 — CID 161290328

IUPAC2-[1-adamantyl(methyl)amino]-N-methylpyrimidine-5-carboxamide;4-[[1-adamantylmethyl(methyl)amino]methyl]-3-fluoro-N-methylbenzamide;4-[[1-adamantylmethyl(methyl)amino]methyl]-3-(18F)fluoro-N-methyl(18F)benzamide;4-[[1-adamantylmethyl(methyl)amino]methyl]-N-methylbenzamide;1-[2-[1-adamantylmethyl(methyl)amino]pyrimidin-5-yl]propan-1-one;4-[3-(1-adamantyl)propyl]-2-fluoro-N-methylbenzamide
SMILESCCC(=O)c1cnc(N(C)CC23CC4CC(CC(C4)C2)C3)nc1.CNC(=O)c1ccc(CCCC23CC4CC(CC(C4)C2)C3)cc1F.CNC(=O)c1ccc(CN(C)CC23CC4CC(CC(C4)C2)C3)c(F)c1.CNC(=O)c1ccc(CN(C)CC23CC4CC(CC(C4)C2)C3)c([18F])c1.CNC(=O)c1ccc(CN(C)CC23CC4CC(CC(C4)C2)C3)cc1.CNC(=O)c1cnc(N(C)C23CC4CC(CC(C4)C2)C3)nc1
InChIInChI=1S/2C21H29FN2O.C21H28FNO.C21H30N2O.C19H27N3O.C17H24N4O/c2*1-23-20(25)17-3-4-18(19(22)8-17)12-24(2)13-21-9-14-5-15(10-21)7-16(6-14)11-21;1-23-20(24)18-5-4-14(10-19(18)22)3-2-6-21-11-15-7-16(12-21)9-17(8-15)13-21;1-22-20(24)19-5-3-15(4-6-19)13-23(2)14-21-10-16-7-17(11-21)9-18(8-16)12-21;1-3-17(23)16-10-20-18(21-11-16)22(2)12-19-7-13-4-14(8-19)6-15(5-13)9-19;1-18-15(22)14-9-19-16(20-10-14)21(2)17-6-11-3-12(7-17)5-13(4-11)8-17/h2*3-4,8,14-16H,5-7,9-13H2,1-2H3,(H,23,25);4-5,10,15-17H,2-3,6-9,11-13H2,1H3,(H,23,24);3-6,16-18H,7-14H2,1-2H3,(H,22,24);10-11,13-15H,3-9,12H2,1-2H3;9-13H,3-8H2,1-2H3,(H,18,22)/i22-1;;;;;
InChIKeyVGGKWGFSDRFZIH-MKQLPJOBSA-N
MW1957.74 g/mol
LogP22.05
Rot. Bonds28

About 2-[1-adamantyl(methyl)amino]-N-methylpyrimidine-5-carboxamide;4-[[1-adamantylmethyl(methyl)amino]methyl]-3-fluoro-N-methylbenzamide;4-[[1-adamantylmethyl(methyl)amino]methyl]-3-(18F)fluoro-N-methyl(18F)benzamide;4-[[1-adamantylmethyl(methyl)amino]methyl]-N-methylbenzamide;1-[2-[1-adamantylmethyl(methyl)amino]pyrimidin-5-yl]propan-1-one;4-[3-(1-adamantyl)propyl]-2-fluoro-N-methylbenzamide

2-[1-adamantyl(methyl)amino]-N-methylpyrimidine-5-carboxamide;4-[[1-adamantylmethyl(methyl)amino]methyl]-3-fluoro-N-methylbenzamide;4-[[1-adamantylmethyl(methyl)amino]methyl]-3-(18F)fluoro-N-methyl(18F)benzamide;4-[[1-adamantylmethyl(methyl)amino]methyl]-N-methylbenzamide;1-[2-[1-adamantylmethyl(methyl)amino]pyrimidin-5-yl]propan-1-one;4-[3-(1-adamantyl)propyl]-2-fluoro-N-methylbenzamide (PubChem CID 161290328) has the molecular formula C120H167F3N14O6 and a molecular weight of 1957.74 g/mol. Its IUPAC name is 2-[1-adamantyl(methyl)amino]-N-methylpyrimidine-5-carboxamide;4-[[1-adamantylmethyl(methyl)amino]methyl]-3-fluoro-N-methylbenzamide;4-[[1-adamantylmethyl(methyl)amino]methyl]-3-(18F)fluoro-N-methyl(18F)benzamide;4-[[1-adamantylmethyl(methyl)amino]methyl]-N-methylbenzamide;1-[2-[1-adamantylmethyl(methyl)amino]pyrimidin-5-yl]propan-1-one;4-[3-(1-adamantyl)propyl]-2-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name2-[1-adamantyl(methyl)amino]-N-methylpyrimidine-5-carboxamide;4-[[1-adamantylmethyl(methyl)amino]methyl]-3-fluoro-N-methylbenzamide;4-[[1-adamantylmethyl(methyl)amino]methyl]-3-(18F)fluoro-N-methyl(18F)benzamide;4-[[1-adamantylmethyl(methyl)amino]methyl]-N-methylbenzamide;1-[2-[1-adamantylmethyl(methyl)amino]pyrimidin-5-yl]propan-1-one;4-[3-(1-adamantyl)propyl]-2-fluoro-N-methylbenzamide
PubChem CID161290328
Molecular FormulaC120H167F3N14O6
Molecular Weight1957.74 g/mol
Exact Mass1956.32
IUPAC Name2-[1-adamantyl(methyl)amino]-N-methylpyrimidine-5-carboxamide;4-[[1-adamantylmethyl(methyl)amino]methyl]-3-fluoro-N-methylbenzamide;4-[[1-adamantylmethyl(methyl)amino]methyl]-3-(18F)fluoro-N-methyl(18F)benzamide;4-[[1-adamantylmethyl(methyl)amino]methyl]-N-methylbenzamide;1-[2-[1-adamantylmethyl(methyl)amino]pyrimidin-5-yl]propan-1-one;4-[3-(1-adamantyl)propyl]-2-fluoro-N-methylbenzamide
SMILESCCC(=O)c1cnc(N(C)CC23CC4CC(CC(C4)C2)C3)nc1.CNC(=O)c1ccc(CCCC23CC4CC(CC(C4)C2)C3)cc1F.CNC(=O)c1ccc(CN(C)CC23CC4CC(CC(C4)C2)C3)c(F)c1.CNC(=O)c1ccc(CN(C)CC23CC4CC(CC(C4)C2)C3)c([18F])c1.CNC(=O)c1ccc(CN(C)CC23CC4CC(CC(C4)C2)C3)cc1.CNC(=O)c1cnc(N(C)C23CC4CC(CC(C4)C2)C3)nc1
InChIInChI=1S/2C21H29FN2O.C21H28FNO.C21H30N2O.C19H27N3O.C17H24N4O/c2*1-23-20(25)17-3-4-18(19(22)8-17)12-24(2)13-21-9-14-5-15(10-21)7-16(6-14)11-21;1-23-20(24)18-5-4-14(10-19(18)22)3-2-6-21-11-15-7-16(12-21)9-17(8-15)13-21;1-22-20(24)19-5-3-15(4-6-19)13-23(2)14-21-10-16-7-17(11-21)9-18(8-16)12-21;1-3-17(23)16-10-20-18(21-11-16)22(2)12-19-7-13-4-14(8-19)6-15(5-13)9-19;1-18-15(22)14-9-19-16(20-10-14)21(2)17-6-11-3-12(7-17)5-13(4-11)8-17/h2*3-4,8,14-16H,5-7,9-13H2,1-2H3,(H,23,25);4-5,10,15-17H,2-3,6-9,11-13H2,1H3,(H,23,24);3-6,16-18H,7-14H2,1-2H3,(H,22,24);10-11,13-15H,3-9,12H2,1-2H3;9-13H,3-8H2,1-2H3,(H,18,22)/i22-1;;;;;
InChIKeyVGGKWGFSDRFZIH-MKQLPJOBSA-N
XLogP22.05
TPSA230.33 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds28
Heavy Atoms143
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001957.74
LogP ≤ 522.05
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Analyze 2-[1-adamantyl(methyl)amino]-N-methylpyrimidine-5-carboxamide;4-[[1-adamantylmethyl(methyl)amino]methyl]-3-fluoro-N-methylbenzamide;4-[[1-adamantylmethyl(methyl)amino]methyl]-3-(18F)fluoro-N-methyl(18F)benzamide;4-[[1-adamantylmethyl(methyl)amino]methyl]-N-methylbenzamide;1-[2-[1-adamantylmethyl(methyl)amino]pyrimidin-5-yl]propan-1-one;4-[3-(1-adamantyl)propyl]-2-fluoro-N-methylbenzamide with MolForge

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Related Compounds

4-[[1-adamantylmethyl(methyl)amino]methyl]-N-methylbenzamide;4-[3-(1-adamantyl)propyl]-3-bromo-N-methylbenzamide;4-[3-(1-adamantyl)propyl]-3-chloro-N-methylbenzamide;4-[3-(1-adamantyl)propyl]-3,5-difluoro-N-methylbenzamide;4-[3-(1-adamantyl)propyl]-N,3-dimethylbenzamide;4-[3-(1-adamantyl)propyl]-2-fluoro-N-methylbenzamide;4-[3-(1-adamantyl)propyl]-3-fluoro-N-methylbenzamide;6-[3-(1-adamantyl)propyl]-N-methylpyridine-3-carboxamide;4-[3-(1-adamantyl)propyl]-N-methyl-3-(trifluoromethyl)benzamide
CID 164947586
methyl 4-[[1-adamantylmethyl(methyl)amino]methyl]-3-(18F)fluorobenzoate
CID 153453882
methyl 4-[[1-adamantylmethyl(methyl)amino]methyl]-3-fluorobenzoate
CID 135357616
4-[3-(1-adamantyl)propyl]-N-methyl-3-(trifluoromethyl)benzamide
CID 159228203
4-[[2-(1-adamantyl)ethylamino]methyl]-3-fluoro-N-hydroxybenzamide
CID 153453877
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide
CID 38747131
(E)-N-methyl-3-[4-[[(111C)methyl(1-tricyclo[4.3.1.13,8]undecanylmethyl)amino]methyl]phenyl]prop-2-enamide
CID 122548335
CID 167532226
CID 167532226
(E)-3-[4-[[1-adamantylmethyl(methyl)amino]methyl]phenyl]-N-hydroxyprop-2-enamide
CID 90479372
4-[(1-adamantylmethylamino)methyl]-3-fluoro-N-hydroxybenzamide
CID 135357607
N-(1-adamantylmethyl)-N-[[4-[[(2,2-difluoroacetyl)amino]carbamoyl]-2-fluorophenyl]methyl]morpholine-4-carboxamide
CID 134584700
6-[[[(3R,5S)-3,5-dimethyl-1-adamantyl]-methylamino]methyl]-N-methylpyridine-3-carboxamide
CID 164623542

Frequently Asked Questions

What is the IUPAC name of 2-[1-adamantyl(methyl)amino]-N-methylpyrimidine-5-carboxamide;4-[[1-adamantylmethyl(methyl)amino]methyl]-3-fluoro-N-methylbenzamide;4-[[1-adamantylmethyl(methyl)amino]methyl]-3-(18F)fluoro-N-methyl(18F)benzamide;4-[[1-adamantylmethyl(methyl)amino]methyl]-N-methylbenzamide;1-[2-[1-adamantylmethyl(methyl)amino]pyrimidin-5-yl]propan-1-one;4-[3-(1-adamantyl)propyl]-2-fluoro-N-methylbenzamide?
The IUPAC name of 2-[1-adamantyl(methyl)amino]-N-methylpyrimidine-5-carboxamide;4-[[1-adamantylmethyl(methyl)amino]methyl]-3-fluoro-N-methylbenzamide;4-[[1-adamantylmethyl(methyl)amino]methyl]-3-(18F)fluoro-N-methyl(18F)benzamide;4-[[1-adamantylmethyl(methyl)amino]methyl]-N-methylbenzamide;1-[2-[1-adamantylmethyl(methyl)amino]pyrimidin-5-yl]propan-1-one;4-[3-(1-adamantyl)propyl]-2-fluoro-N-methylbenzamide (CID 161290328) is 2-[1-adamantyl(methyl)amino]-N-methylpyrimidine-5-carboxamide;4-[[1-adamantylmethyl(methyl)amino]methyl]-3-fluoro-N-methylbenzamide;4-[[1-adamantylmethyl(methyl)amino]methyl]-3-(18F)fluoro-N-methyl(18F)benzamide;4-[[1-adamantylmethyl(methyl)amino]methyl]-N-methylbenzamide;1-[2-[1-adamantylmethyl(methyl)amino]pyrimidin-5-yl]propan-1-one;4-[3-(1-adamantyl)propyl]-2-fluoro-N-methylbenzamide.
What is the SMILES notation for 2-[1-adamantyl(methyl)amino]-N-methylpyrimidine-5-carboxamide;4-[[1-adamantylmethyl(methyl)amino]methyl]-3-fluoro-N-methylbenzamide;4-[[1-adamantylmethyl(methyl)amino]methyl]-3-(18F)fluoro-N-methyl(18F)benzamide;4-[[1-adamantylmethyl(methyl)amino]methyl]-N-methylbenzamide;1-[2-[1-adamantylmethyl(methyl)amino]pyrimidin-5-yl]propan-1-one;4-[3-(1-adamantyl)propyl]-2-fluoro-N-methylbenzamide?
The canonical SMILES for 2-[1-adamantyl(methyl)amino]-N-methylpyrimidine-5-carboxamide;4-[[1-adamantylmethyl(methyl)amino]methyl]-3-fluoro-N-methylbenzamide;4-[[1-adamantylmethyl(methyl)amino]methyl]-3-(18F)fluoro-N-methyl(18F)benzamide;4-[[1-adamantylmethyl(methyl)amino]methyl]-N-methylbenzamide;1-[2-[1-adamantylmethyl(methyl)amino]pyrimidin-5-yl]propan-1-one;4-[3-(1-adamantyl)propyl]-2-fluoro-N-methylbenzamide is CCC(=O)c1cnc(N(C)CC23CC4CC(CC(C4)C2)C3)nc1.CNC(=O)c1ccc(CCCC23CC4CC(CC(C4)C2)C3)cc1F.CNC(=O)c1ccc(CN(C)CC23CC4CC(CC(C4)C2)C3)c(F)c1.CNC(=O)c1ccc(CN(C)CC23CC4CC(CC(C4)C2)C3)c([18F])c1.CNC(=O)c1ccc(CN(C)CC23CC4CC(CC(C4)C2)C3)cc1.CNC(=O)c1cnc(N(C)C23CC4CC(CC(C4)C2)C3)nc1.
What is the InChIKey of 2-[1-adamantyl(methyl)amino]-N-methylpyrimidine-5-carboxamide;4-[[1-adamantylmethyl(methyl)amino]methyl]-3-fluoro-N-methylbenzamide;4-[[1-adamantylmethyl(methyl)amino]methyl]-3-(18F)fluoro-N-methyl(18F)benzamide;4-[[1-adamantylmethyl(methyl)amino]methyl]-N-methylbenzamide;1-[2-[1-adamantylmethyl(methyl)amino]pyrimidin-5-yl]propan-1-one;4-[3-(1-adamantyl)propyl]-2-fluoro-N-methylbenzamide?
The InChIKey is VGGKWGFSDRFZIH-MKQLPJOBSA-N. The full InChI is InChI=1S/2C21H29FN2O.C21H28FNO.C21H30N2O.C19H27N3O.C17H24N4O/c2*1-23-20(25)17-3-4-18(19(22)8-17)12-24(2)13-21-9-14-5-15(10-21)7-16(6-14)11-21;1-23-20(24)18-5-4-14(10-19(18)22)3-2-6-21-11-15-7-16(12-21)9-17(8-15)13-21;1-22-20(24)19-5-3-15(4-6-19)13-23(2)14-21-10-16-7-17(11-21)9-18(8-16)12-21;1-3-17(23)16-10-20-18(21-11-16)22(2)12-19-7-13-4-14(8-19)6-15(5-13)9-19;1-18-15(22)14-9-19-16(20-10-14)21(2)17-6-11-3-12(7-17)5-13(4-11)8-17/h2*3-4,8,14-16H,5-7,9-13H2,1-2H3,(H,23,25);4-5,10,15-17H,2-3,6-9,11-13H2,1H3,(H,23,24);3-6,16-18H,7-14H2,1-2H3,(H,22,24);10-11,13-15H,3-9,12H2,1-2H3;9-13H,3-8H2,1-2H3,(H,18,22)/i22-1;;;;;.
What are the key properties of 2-[1-adamantyl(methyl)amino]-N-methylpyrimidine-5-carboxamide;4-[[1-adamantylmethyl(methyl)amino]methyl]-3-fluoro-N-methylbenzamide;4-[[1-adamantylmethyl(methyl)amino]methyl]-3-(18F)fluoro-N-methyl(18F)benzamide;4-[[1-adamantylmethyl(methyl)amino]methyl]-N-methylbenzamide;1-[2-[1-adamantylmethyl(methyl)amino]pyrimidin-5-yl]propan-1-one;4-[3-(1-adamantyl)propyl]-2-fluoro-N-methylbenzamide?
2-[1-adamantyl(methyl)amino]-N-methylpyrimidine-5-carboxamide;4-[[1-adamantylmethyl(methyl)amino]methyl]-3-fluoro-N-methylbenzamide;4-[[1-adamantylmethyl(methyl)amino]methyl]-3-(18F)fluoro-N-methyl(18F)benzamide;4-[[1-adamantylmethyl(methyl)amino]methyl]-N-methylbenzamide;1-[2-[1-adamantylmethyl(methyl)amino]pyrimidin-5-yl]propan-1-one;4-[3-(1-adamantyl)propyl]-2-fluoro-N-methylbenzamide has a molecular weight of 1957.74 g/mol, XLogP of 22.05, 28 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-adamantyl(methyl)amino]-N-methylpyrimidine-5-carboxamide;4-[[1-adamantylmethyl(methyl)amino]methyl]-3-fluoro-N-methylbenzamide;4-[[1-adamantylmethyl(methyl)amino]methyl]-3-(18F)fluoro-N-methyl(18F)benzamide;4-[[1-adamantylmethyl(methyl)amino]methyl]-N-methylbenzamide;1-[2-[1-adamantylmethyl(methyl)amino]pyrimidin-5-yl]propan-1-one;4-[3-(1-adamantyl)propyl]-2-fluoro-N-methylbenzamide is sourced from PubChem (CID 161290328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).